1-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-3-methylurea

C15H14ClN5O — CID 90403490

IUPAC1-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-3-methylurea
SMILESCNC(=O)Nc1ccc(Cl)c(-c2nc3ncc(C)cc3[nH]2)c1
InChIInChI=1S/C15H14ClN5O/c1-8-5-12-14(18-7-8)21-13(20-12)10-6-9(3-4-11(10)16)19-15(22)17-2/h3-7H,1-2H3,(H2,17,19,22)(H,18,20,21)
InChIKeySFXMMJFXMHKYAT-UHFFFAOYSA-N
MW315.76 g/mol
LogP3.34
Rot. Bonds2

About 1-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-3-methylurea

1-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-3-methylurea (PubChem CID 90403490) has the molecular formula C15H14ClN5O and a molecular weight of 315.76 g/mol. Its IUPAC name is 1-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-3-methylurea.

Molecular Properties

Compound Name1-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-3-methylurea
PubChem CID90403490
Molecular FormulaC15H14ClN5O
Molecular Weight315.76 g/mol
Exact Mass315.09
IUPAC Name1-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-3-methylurea
SMILESCNC(=O)Nc1ccc(Cl)c(-c2nc3ncc(C)cc3[nH]2)c1
InChIInChI=1S/C15H14ClN5O/c1-8-5-12-14(18-7-8)21-13(20-12)10-6-9(3-4-11(10)16)19-15(22)17-2/h3-7H,1-2H3,(H2,17,19,22)(H,18,20,21)
InChIKeySFXMMJFXMHKYAT-UHFFFAOYSA-N
XLogP3.34
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]acetamide
CID 90403629
propan-2-yl N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]carbamate
CID 90404079
2-amino-N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-methylpropanamide
CID 90403020
N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-5-methylpyrazine-2-carboxamide
CID 90403510
N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-phenylacetamide
CID 90403734
N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 90403536
2-methylpropyl N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]carbamate
CID 90403529
N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-5-fluorofuran-2-carboxamide
CID 85471839
N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-[4-(dimethylamino)phenyl]acetamide
CID 85471704
[3-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-4-chlorophenyl]carbamic acid
CID 90403447
N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 90403576
N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 90403274

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-3-methylurea?
The IUPAC name of 1-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-3-methylurea (CID 90403490) is 1-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-3-methylurea.
What is the SMILES notation for 1-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-3-methylurea?
The canonical SMILES for 1-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-3-methylurea is CNC(=O)Nc1ccc(Cl)c(-c2nc3ncc(C)cc3[nH]2)c1.
What is the InChIKey of 1-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-3-methylurea?
The InChIKey is SFXMMJFXMHKYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5O/c1-8-5-12-14(18-7-8)21-13(20-12)10-6-9(3-4-11(10)16)19-15(22)17-2/h3-7H,1-2H3,(H2,17,19,22)(H,18,20,21).
What are the key properties of 1-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-3-methylurea?
1-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-3-methylurea has a molecular weight of 315.76 g/mol, XLogP of 3.34, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-3-methylurea is sourced from PubChem (CID 90403490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).